2-(pyridin-4-ylamino)-4,5-dihydroisoindole-1,3-dione hydrochloride

Systemtic Name: 2-(pyridin-4-ylamino)-4,5-dihydroisoindole-1,3-dione hydrochloride Openeye Name: 2-(4-pyridylamino)-4,5-dihydroisoindole-1,3-dione hydrochloride CAS Name: 2-(pyridin-4-ylamino)-4,5-dihydroisoindole-1,3-dione hydrochloride IUPAC Name: 2-(pyridin-4-ylamino)-4,5-dihydroisoindole-1,3-dione hydrochloride Traditional Name: 2-(4-pyridylamino)-4,5-dihydroisoindole-1,3-quinone hydrochloride Formula: C13H12ClN3O2 MolecularWeight: 277.70628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1)C(=O)N(C2=O)NC3=CC=NC=C3.Cl

Isomeric SMILES

C1CC2=C(C=C1)C(=O)N(C2=O)NC3=CC=NC=C3.Cl

InChI

InChI=1S/C13H11N3O2.ClH/c17-12-10-3-1-2-4-11(10)13(18)16(12)15-9-5-7-14-8-6-9;/h1,3,5-8H,2,4H2,(H,14,15);1H